ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate

C12H19N3O3S — CID 12766140

IUPACethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate
SMILESCCCCCO/N=C(\C(=O)OCC)c1csc(N)n1
InChIInChI=1S/C12H19N3O3S/c1-3-5-6-7-18-15-10(11(16)17-4-2)9-8-19-12(13)14-9/h8H,3-7H2,1-2H3,(H2,13,14)/b15-10-
InChIKeyWEDOYODBYFGEFJ-GDNBJRDFSA-N
MW285.37 g/mol
LogP2.20
Rot. Bonds8

About ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate

ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate (PubChem CID 12766140) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate
PubChem CID12766140
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Nameethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate
SMILESCCCCCO/N=C(\C(=O)OCC)c1csc(N)n1
InChIInChI=1S/C12H19N3O3S/c1-3-5-6-7-18-15-10(11(16)17-4-2)9-8-19-12(13)14-9/h8H,3-7H2,1-2H3,(H2,13,14)/b15-10-
InChIKeyWEDOYODBYFGEFJ-GDNBJRDFSA-N
XLogP2.20
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate?
The IUPAC name of ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate (CID 12766140) is ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate.
What is the SMILES notation for ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate?
The canonical SMILES for ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate is CCCCCO/N=C(\C(=O)OCC)c1csc(N)n1.
What is the InChIKey of ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate?
The InChIKey is WEDOYODBYFGEFJ-GDNBJRDFSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-5-6-7-18-15-10(11(16)17-4-2)9-8-19-12(13)14-9/h8H,3-7H2,1-2H3,(H2,13,14)/b15-10-.
What are the key properties of ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate?
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate has a molecular weight of 285.37 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate is sourced from PubChem (CID 12766140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).